UCSF

ZINC23362818

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 30 Yes

Popular Name: (2S,4S)-4-(2-adamantylamino)-N-ethyl-1-(1-propyl-4-piperidyl)pyrrolidine-2-carboxamide (2S,4S)-4-(2-adamantylamino)-N-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.79 9.29 -110.22 4 5 2 53 418.67 7 ↓
Hi High (pH 8-9.5) 3.79 8.65 -41.69 3 5 1 49 417.662 7 ↓
Mid Mid (pH 6-8) 3.79 9.15 -130.39 4 5 2 53 418.67 7 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )